N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide

C23H20ClFN2O2 — CID 118247101

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide
SMILESC[C@H](c1cc(F)cc(Cl)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H20ClFN2O2/c1-15(18-12-19(24)14-20(25)13-18)27(23(29)17-10-6-3-7-11-17)21(22(26)28)16-8-4-2-5-9-16/h2-15,21H,1H3,(H2,26,28)/t15-,21-/m1/s1
InChIKeyOQQSVQAAPGCJFY-QVKFZJNVSA-N
MW410.88 g/mol
LogP4.91
Rot. Bonds6

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide (PubChem CID 118247101) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide
PubChem CID118247101
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide
SMILESC[C@H](c1cc(F)cc(Cl)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H20ClFN2O2/c1-15(18-12-19(24)14-20(25)13-18)27(23(29)17-10-6-3-7-11-17)21(22(26)28)16-8-4-2-5-9-16/h2-15,21H,1H3,(H2,26,28)/t15-,21-/m1/s1
InChIKeyOQQSVQAAPGCJFY-QVKFZJNVSA-N
XLogP4.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide (CID 118247101) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide is C[C@H](c1cc(F)cc(Cl)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide?
The InChIKey is OQQSVQAAPGCJFY-QVKFZJNVSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c1-15(18-12-19(24)14-20(25)13-18)27(23(29)17-10-6-3-7-11-17)21(22(26)28)16-8-4-2-5-9-16/h2-15,21H,1H3,(H2,26,28)/t15-,21-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide has a molecular weight of 410.88 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chloro-5-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 118247101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).